[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate

C15H23BrO3Si — CID 174567149

IUPAC[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
SMILESCC(=O)OCc1ccc(Br)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H23BrO3Si/c1-11(17)18-10-12-7-8-13(16)14(9-12)19-20(5,6)15(2,3)4/h7-9H,10H2,1-6H3
InChIKeyRGLPGOVGWKBXBG-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.90
Rot. Bonds4

About [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate

[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate (PubChem CID 174567149) has the molecular formula C15H23BrO3Si and a molecular weight of 359.34 g/mol. Its IUPAC name is [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate.

Molecular Properties

Compound Name[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
PubChem CID174567149
Molecular FormulaC15H23BrO3Si
Molecular Weight359.34 g/mol
Exact Mass358.06
IUPAC Name[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
SMILESCC(=O)OCc1ccc(Br)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H23BrO3Si/c1-11(17)18-10-12-7-8-13(16)14(9-12)19-20(5,6)15(2,3)4/h7-9H,10H2,1-6H3
InChIKeyRGLPGOVGWKBXBG-UHFFFAOYSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781
2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid
CID 167715814
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
CID 58833573
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
CID 90816966
CID 90816966
[4-bromo-3-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy-tert-butyl-dimethylsilane
CID 175544968
(3-bromo-5-tert-butylphenyl)methyl acetate
CID 129277284
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
The IUPAC name of [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate (CID 174567149) is [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate.
What is the SMILES notation for [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
The canonical SMILES for [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate is CC(=O)OCc1ccc(Br)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
The InChIKey is RGLPGOVGWKBXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO3Si/c1-11(17)18-10-12-7-8-13(16)14(9-12)19-20(5,6)15(2,3)4/h7-9H,10H2,1-6H3.
What are the key properties of [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate has a molecular weight of 359.34 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate is sourced from PubChem (CID 174567149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).